Geometry & MOs

Info

ID:	187468
PubChem CID:	77575463
Reduced:	N2H12C17 (1)
Stoich.:	A2B12C17 (1)
Weight, g/mol:	649.18343
ΔH_f, kcal/mol:	119.01
Dipole, Da:	2.99
IP(EA), eV:	-8.38(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1-acetylpiperidine-4-carbonyl)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-1-[2-(trifluoromethyl)phenyl]imidazole-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC2=CC=CC3=NC(=CC(=C1)C23)C4=CN=CC=C4

DOS

IR

Vibrations